Reaction Details |
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Target | C-X-C chemokine receptor type 4 |
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Ligand | BDBM50166079 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_306317 (CHEMBL827762) |
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IC50 | 10±n/a nM |
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Citation | Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Identification of novel low molecular weight CXCR4 antagonists by structural tuning of cyclic tetrapeptide scaffolds. J Med Chem48:3280-9 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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C-X-C chemokine receptor type 4 |
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Name: | C-X-C chemokine receptor type 4 |
Synonyms: | C-X-C chemokine receptor type 4 | C-X-C chemokine receptor type 4 (CXCR4) | CD_antigen=CD184 | CXC-R4 | CXCR-4 | CXCR4 | CXCR4_HUMAN | FB22 | Fusin | HM89 | LCR1 | LESTR | Leukocyte-derived seven transmembrane domain receptor | NPYRL | SDF-1 receptor | Stromal cell-derived factor 1 receptor |
Type: | Enzyme |
Mol. Mass.: | 39754.61 |
Organism: | Homo sapiens (Human) |
Description: | P61073 |
Residue: | 352 |
Sequence: | MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVI
LVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNL
YSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEA
DDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKT
TVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPI
LYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
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BDBM50166079 |
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n/a |
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Name | BDBM50166079 |
Synonyms: | CHEMBL192183 | N-[(2R,5R,11S,14S,16aS)-14-(3-Guanidino-propyl)-5-(4-hydroxy-benzyl)-11-naphthalen-2-ylmethyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-2-yl]-guanidine |
Type | Small organic molecule |
Emp. Form. | C36H45N11O6 |
Mol. Mass. | 727.8126 |
SMILES | [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O)\[#7]=[#6](/[#7])-[#7] |
Structure |
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